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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > (22s,24e)-3beta,22-diacetoxy-7alpha-hydroxylanosta-8,24-dien-26-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (22s,24e)-3beta,22-diacetoxy-7alpha-hydroxylanosta-8,24-dien-26-oic acid

Preferred term

(22s,24e)-3beta,22-diacetoxy-7alpha-hydroxylanosta-8,24-dien-26-oic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C34H52O7

inchi

  • InChI=1S/C34H52O7/c1-19(30(38)39)10-11-26(40-21(3)35)20(2)23-12-17-34(9)29-24(13-16-33(23,34)8)32(7)15-14-28(41-22(4)36)31(5,6)27(32)18-25(29)37/h10,20,23,25-28,37H,11-18H2,1-9H3,(H,38,39)/b19-10+/t20-,23+,25+,26-,27-,28-,32+,33+,34-/m0/s1

inchikey

  • DFTRGMQOYOBJLB-FKGFWEJJSA-N

mass

  • 572.783

monoisotopicmass

  • 572.37130

smiles

  • O=C(O)/C(=C/C[C@H](OC(=O)C)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)C[C@H]3O)C)CC2)(C)CC1)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • (E,5S,6S)-5-acetyloxy-6-[(3S,5R,7R,10S,13R,14R,17R)-3-acetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207350

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